Vitas-M small molecule compound

N-(3-chloro-4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide

Catalog ID
STK556829
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H30ClN3O3S MW 536.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN3O3S/c1-3-15-33-27(35)25-26(21-10-6-5-9-19(21)17-29(25)13-7-4-8-14-29)32-28(33)37-18-24(34)31-20-11-12-23(36-2)22(30)16-20/h3,5-6,9-12,16H,1,4,7-8,13-15,17-18H2,2H3,(H,31,34)
InChIKey
CZRWSWMFKSXYOJ-UHFFFAOYSA-N
Synonyms
573943-72-3
2((3allyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(3chloro4methoxyphenyl)acetamide
573943723
COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53)Cl
InChI=1SC29H30ClN3O3Sc13153327(35)2526(211065919(21)1729(25)137481429)3228(33)371824(34)3120111223(362)22(30)1620h35691216H147813151718H22H3(H3134)
MFCD04020744
N(3chloro4methoxyphenyl)2((4oxo3(prop2en1yl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(3CHLORO4METHOXYPHENYL)2(4OXO3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000002220951
ZINC2220951

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Available files

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