Vitas-M small molecule compound
2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylpropanamide
Catalog ID
STL441040
SMILES COc1ccc(cc1)n1c(SC(C(=O)Nc2ccccc2)C)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 C33H33N3O3S MW 551.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O3S/c1-22(30(37)34-24-12-5-3-6-13-24)40-32-35-29-27-14-8-7-11-23(27)21-33(19-9-4-10-20-33)28(29)31(38)36(32)25-15-17-26(39-2)18-16-25/h3,5-8,11-18,22H,4,9-10,19-21H2,1-2H3,(H,34,37)InChIKey
NQRTYHLTJGNPHP-UHFFFAOYSA-NSynonyms
2((3(4methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)Nphenylpropanamide
2(3(4METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNPHENYLPROPANAMIDE
CC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC33H33N3O3Sc122(30(37)3424125361324)403235292714871123(27)2133(1994102033)28(29)31(38)36(32)25151726(392)181625h358111822H49101921H212H3(H3437)
MFCD06243765
ZINC000003771705
ZINC000003771706
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