Vitas-M small molecule compound
(3alpha,5beta,7beta,8xi)-3,7-dihydroxy-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]cholan-24-amide
Catalog ID
STL536360
SMILES CC(Cc1n[nH]/c(=N/C(=O)CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@H]3[C@@H](O)C[C@H]3[C@]2(C)CC[C@H](C3)O)C)/s1)C
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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 C30H49N3O3S MW 531.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H49N3O3S/c1-17(2)14-26-32-33-28(37-26)31-25(36)9-6-18(3)21-7-8-22-27-23(11-13-30(21,22)5)29(4)12-10-20(34)15-19(29)16-24(27)35/h17-24,27,34-35H,6-16H2,1-5H3,(H,31,33,36)/t18-,19+,20-,21-,22+,23+,24+,27+,29+,30-/m1/s1InChIKey
NOAZBBMBSWNICG-PYOQXWFLSA-NSynonyms
(3alpha5beta7beta8xi)37dihydroxyN((2Z)5(2methylpropyl)134thiadiazol2(3H)ylidene)cholan24amide
(4~(R))4((3~(R)5~(S)7~(S)8~(R)9~(S)10~(S)13~(R)14~(S)17~(R))37dihydroxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren17yl)~(N)(5(2methylpropyl)134thiadiazol2yl)pentanamide
52994416
InChI=1SC30H49N3O3Sc117(2)1426323328(3726)3125(36)9618(3)2178222723(111330(2122)5)29(4)121020(34)1519(29)1624(27)35h1724273435H616H215H3(H313336)t1819+202122+23+24+27+29+30m1s1
ZINC000070666160
ZINC70666160
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